4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione

C26H24O2 — CID 15109157

IUPAC4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione
SMILESCc1cc(C)c2ccc(C3=Cc4c(C)cc(C)c(=O)c(C)c4C3=O)c-2c(C)c1
InChIInChI=1S/C26H24O2/c1-13-9-14(2)19-7-8-20(23(19)16(4)10-13)22-12-21-15(3)11-17(5)25(27)18(6)24(21)26(22)28/h7-12H,1-6H3
InChIKeyYADARTPHCYCXQD-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.74
Rot. Bonds1

About 4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione

4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione (PubChem CID 15109157) has the molecular formula C26H24O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione.

Molecular Properties

Compound Name4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione
PubChem CID15109157
Molecular FormulaC26H24O2
Molecular Weight368.48 g/mol
Exact Mass368.18
IUPAC Name4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione
SMILESCc1cc(C)c2ccc(C3=Cc4c(C)cc(C)c(=O)c(C)c4C3=O)c-2c(C)c1
InChIInChI=1S/C26H24O2/c1-13-9-14(2)19-7-8-20(23(19)16(4)10-13)22-12-21-15(3)11-17(5)25(27)18(6)24(21)26(22)28/h7-12H,1-6H3
InChIKeyYADARTPHCYCXQD-UHFFFAOYSA-N
XLogP5.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene
CID 91568934
1,2,4,7-tetramethylanthracene-9,10-dione
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4,6,8-trimethylazulene-1,5-dione
CID 15109160
2-(2,4-dimethylphenyl)-3-phenylcycloprop-2-en-1-one
CID 12708779
3,5,7-trimethyl-2-sulfanylcyclohepta-2,4,6-trien-1-one
CID 14340697
2-sulfanylidene-5-[(4,6,8-trimethylazulen-1-yl)methylidene]-1,3-diazinane-4,6-dione
CID 132515921
1-(2,4-dimethylphenyl)-2,4-dimethylnaphthalene
CID 143438685
1,5,7-trimethylindole-2,3-dione
CID 12634805
2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene
CID 57209426
2-[2-(2,4,6-trimethylphenyl)phenyl]cyclohexa-2,5-diene-1,4-dione
CID 175597368
dimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium
CID 11068146
2-[3-(2,4-dimethylphenyl)-2,4,6-trimethylphenyl]-1,5-dimethylpyridin-1-ium
CID 140944352

Frequently Asked Questions

What is the IUPAC name of 4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione?
The IUPAC name of 4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione (CID 15109157) is 4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione.
What is the SMILES notation for 4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione?
The canonical SMILES for 4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione is Cc1cc(C)c2ccc(C3=Cc4c(C)cc(C)c(=O)c(C)c4C3=O)c-2c(C)c1.
What is the InChIKey of 4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione?
The InChIKey is YADARTPHCYCXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O2/c1-13-9-14(2)19-7-8-20(23(19)16(4)10-13)22-12-21-15(3)11-17(5)25(27)18(6)24(21)26(22)28/h7-12H,1-6H3.
What are the key properties of 4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione?
4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione has a molecular weight of 368.48 g/mol, XLogP of 5.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione is sourced from PubChem (CID 15109157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).